N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide

C14H18N4O3S — CID 113095048

IUPACN-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C14H18N4O3S/c1-9-14(10(2)17-16-9)22(20,21)18(4)13-7-5-12(6-8-13)15-11(3)19/h5-8H,1-4H3,(H,15,19)(H,16,17)
InChIKeyBZGQDCGRIWLYFD-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.81
Rot. Bonds4

About N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide

N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide (PubChem CID 113095048) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide
PubChem CID113095048
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C14H18N4O3S/c1-9-14(10(2)17-16-9)22(20,21)18(4)13-7-5-12(6-8-13)15-11(3)19/h5-8H,1-4H3,(H,15,19)(H,16,17)
InChIKeyBZGQDCGRIWLYFD-UHFFFAOYSA-N
XLogP1.81
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718
N-[4-[acetyl-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061867
N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43348964
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 110335689
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110335714
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide
CID 17436993
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
CID 112505341
N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858792
N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
CID 121238654
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide (CID 113095048) is N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide is CC(=O)Nc1ccc(N(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide?
The InChIKey is BZGQDCGRIWLYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9-14(10(2)17-16-9)22(20,21)18(4)13-7-5-12(6-8-13)15-11(3)19/h5-8H,1-4H3,(H,15,19)(H,16,17).
What are the key properties of N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide?
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide is sourced from PubChem (CID 113095048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).